4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline

C13H20FNO2 — CID 114838484

IUPAC4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline
SMILESCOCC(Nc1ccc(F)c(OC)c1)C(C)C
InChIInChI=1S/C13H20FNO2/c1-9(2)12(8-16-3)15-10-5-6-11(14)13(7-10)17-4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyGLDRHZQNYMULBO-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.92
Rot. Bonds6

About 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline

4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline (PubChem CID 114838484) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline
PubChem CID114838484
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline
SMILESCOCC(Nc1ccc(F)c(OC)c1)C(C)C
InChIInChI=1S/C13H20FNO2/c1-9(2)12(8-16-3)15-10-5-6-11(14)13(7-10)17-4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyGLDRHZQNYMULBO-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-fluoro-3-methoxyphenyl)-3-methylhexane-1,2-diamine
CID 114839130
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015
2-(4-fluoro-3-methoxyanilino)-N-methylpropanamide
CID 114839350
N-(1-methoxy-3-methylbutan-2-yl)-4-nitro-3-propan-2-yloxyaniline
CID 83003071
4-fluoro-N-heptan-3-yl-3-methoxyaniline
CID 114838067
N-ethyl-4-fluoro-3-methoxyaniline;hydrochloride
CID 67609576
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
N-(4-fluoro-3-methoxyphenyl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583313

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The IUPAC name of 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline (CID 114838484) is 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline is COCC(Nc1ccc(F)c(OC)c1)C(C)C.
What is the InChIKey of 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline?
The InChIKey is GLDRHZQNYMULBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-9(2)12(8-16-3)15-10-5-6-11(14)13(7-10)17-4/h5-7,9,12,15H,8H2,1-4H3.
What are the key properties of 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline?
4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline has a molecular weight of 241.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)aniline is sourced from PubChem (CID 114838484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).